[4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-methoxy-phenyl] methanesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-methoxy-phenyl] ester Formula: C14H17N3O6S2 MolecularWeight: 387.43128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)C2=CC(=C(C=C2)OS(=O)(=O)C)OC)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(S1)C2=CC(=C(C=C2)OS(=O)(=O)C)OC)C(=O)C

InChI

InChI=1S/C14H17N3O6S2/c1-8(18)15-14-16-17(9(2)19)13(24-14)10-5-6-11(12(7-10)22-3)23-25(4,20)21/h5-7,13H,1-4H3,(H,15,16,18)